April 2013 Archives by thread

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Starting: Mon Apr 1 00:03:52 CEST 2013
Ending: Tue Apr 30 22:19:56 CEST 2013
Messages: 1014

• [gmx-users] g_dipoles -g molecular center of mass issue   traviskemper
• [gmx-users] g_cluster nan/segmentation fault error   mahealey
• [gmx-users] Structure file for di atmoic molecule   Juliette N.
• [gmx-users] How to have two proteins randomly positioned and oriented in the box   Zhikun Cai
  • [gmx-users] How to have two proteins randomly positioned and oriented in the box   Justin Lemkul
    • [gmx-users] How to have two proteins randomly positioned and oriented in the box   Zhikun Cai
• [gmx-users] Re: Glutamate to Alanine Mutation   Sai Kumar Ramadugu
  • [gmx-users] Re: Glutamate to Alanine Mutation   Sai Kumar Ramadugu
• [gmx-users] Fwd: clustering based on side-chain conformations   anu chandra
  • [gmx-users] Fwd: clustering based on side-chain conformations   Justin Lemkul
    • [gmx-users] Fwd: clustering based on side-chain conformations   anu chandra
      • [gmx-users] Fwd: clustering based on side-chain conformations   Justin Lemkul
• [gmx-users] Salt bridge Calculations   Kavyashree M
  • [gmx-users] Re: Salt bridge Calculations   Kavyashree M
    • [gmx-users] Re: Salt bridge Calculations   bipin singh
      • [gmx-users] Re: Salt bridge Calculations   Kavyashree M
      • [gmx-users] Re: Salt bridge Calculations   Justin Lemkul
      • [gmx-users] Re: Salt bridge Calculations   Kavyashree M
      • [gmx-users] Re: Salt bridge Calculations   Justin Lemkul
      • [gmx-users] Re: Salt bridge Calculations   Kavyashree M
• [gmx-users] Radial density calculation   Venkat Reddy
  • [gmx-users] Radial density calculation   Dallas Warren
    • [gmx-users] Radial density calculation   Venkat Reddy
• [gmx-users] Inhomogeneity of water molecules insertion into the box   Zhikun Cai
  • [gmx-users] Inhomogeneity of water molecules insertion into the box   Justin Lemkul
• [gmx-users] gromacs 4.6.1 on win7?   라지브간디
  • [gmx-users] gromacs 4.6.1 on win7?   Justin Lemkul
    • [gmx-users] gromacs 4.6.1 on win7?   Mark Abraham
  • Good News for Cygwin users (was: Re: [gmx-users] gromacs 4.6.1 on win7?)   Mirco Wahab
• [gmx-users] About CNT-CYCLIC PETIDE constructio   vidhya sankar
  • [gmx-users] About CNT-CYCLIC PETIDE constructio   Justin Lemkul
• [gmx-users] COM restraint similar to distance restraints   nahren manuel
  • [gmx-users] COM restraint similar to distance restraints   nahren manuel
    • [gmx-users] COM restraint similar to distance restraints   Erik Marklund
• [gmx-users] Re: density profile   Dr. Vitaly Chaban
  • [gmx-users] Re: density profile   Elisabeth
    • [gmx-users] Re: density profile   Dr. Vitaly Chaban
      • [gmx-users] Re: density profile   Justin Lemkul
      • [gmx-users] Re: density profile   Dr. Vitaly Chaban
      • [gmx-users] Re: density profile   Elisabeth
      • [gmx-users] Re: density profile   Dr. Vitaly Chaban
      • Fw: Aw: Re: [gmx-users] Re: density profile   lloyd riggs
• [gmx-users] Re: density profile   Dr. Vitaly Chaban
• [gmx-users] Re: density profile   Dr. Vitaly Chaban
  • [gmx-users] Re: density profile   Dr. Vitaly Chaban
• [gmx-users] editconf- pdb to gro format   Juliette N.
  • [gmx-users] editconf- pdb to gro format   Justin Lemkul
    • [gmx-users] editconf- pdb to gro format   Juliette N.
      • [gmx-users] editconf- pdb to gro format   Justin Lemkul
• [gmx-users] MD stop,systme not equilibrium   aixintiankong
  • [gmx-users] MD stop,systme not equilibrium   Justin Lemkul
• [gmx-users] Maximum force on atom and unpacked lipids   sdshine
  • [gmx-users] Maximum force on atom and unpacked lipids   Justin Lemkul
• [gmx-users] Position restraints   alex rayevsky
  • [gmx-users] Position restraints   Justin Lemkul
• [gmx-users] REMD general protocol ...   rama david
  • [gmx-users] REMD general protocol ...   Justin Lemkul
    • [gmx-users] REMD general protocol ...   Erik Marklund
      • [gmx-users] REMD general protocol ...   rama david
      • [gmx-users] REMD general protocol ...   massimo sandal
      • [gmx-users] REMD general protocol ...   rama david
      • [gmx-users] REMD general protocol ...   Justin Lemkul
      • [gmx-users] REMD general protocol ...   rama david
      • [gmx-users] REMD general protocol ...   Justin Lemkul
• [gmx-users] install gromacs 4.5.5 on cluster   song.yongshun
• [gmx-users] 4.6.1 support double precision GPU now?   Albert
  • [gmx-users] 4.6.1 support double precision GPU now?   Carsten Kutzner
• [gmx-users] g_density: Segmentation fault   Elisabeth
  • [gmx-users] g_density: Segmentation fault   Justin Lemkul
    • [gmx-users] g_density: Segmentation fault   Elisabeth
      • [gmx-users] g_density: Segmentation fault   Justin Lemkul
• [gmx-users] Re: Hamiltonian replica exchange umbrella sampling with gmx 4.6   Dejun Lin
  • [gmx-users] Re: Hamiltonian replica exchange umbrella sampling with gmx 4.6   Michael Shirts
    • [gmx-users] Re: Hamiltonian replica exchange umbrella sampling with gmx 4.6   Dejun Lin
• [gmx-users] Free webinar on Gromacs-4.6 and GPUs together with Nvidia   Erik Lindahl
• [gmx-users] gromacs 4.6.1 on win7?   Roland Schulz
• [gmx-users] Re: g_density: Segmentation fault   Dr. Vitaly Chaban
• [gmx-users] the value of pressure is negative   Nur Syafiqah Abdul Ghani
  • [gmx-users] the value of pressure is negative   Justin Lemkul
• [gmx-users] g_hbond   Nilesh Dhumal
  • [gmx-users] g_hbond   Erik Marklund
• [gmx-users] RE: Position restraints   alex rayevsky
  • [gmx-users] RE: Position restraints   Justin Lemkul
• [gmx-users] Re: density profile   Dr. Vitaly Chaban
• [gmx-users] Re: gromacs 4.6.1 on win7?   라지브간디
  • [gmx-users] Re: gromacs 4.6.1 on win7?   Mark Abraham
• [gmx-users] water models tip3p.gro and spce.gro   Ahmet yıldırım
  • [gmx-users] water models tip3p.gro and spce.gro   Justin Lemkul
• [gmx-users] 1-4 interactions   Liron Cohen
  • [gmx-users] 1-4 interactions   Justin Lemkul
    • [gmx-users] 1-4 interactions   Liron Cohen
      • [gmx-users] 1-4 interactions   Justin Lemkul
• [gmx-users] Simulation of the HEM-containing proteins   James Starlight
  • [gmx-users] Simulation of the HEM-containing proteins   Justin Lemkul
    • [gmx-users] Simulation of the HEM-containing proteins   James Starlight
      • [gmx-users] Simulation of the HEM-containing proteins   James Starlight
      • [gmx-users] Simulation of the HEM-containing proteins   James Starlight
      • [gmx-users] Simulation of the HEM-containing proteins   Justin Lemkul
      • [gmx-users] Simulation of the HEM-containing proteins   James Starlight
      • [gmx-users] Simulation of the HEM-containing proteins   James Starlight
      • [gmx-users] Simulation of the HEM-containing proteins   Mark Abraham
      • [gmx-users] Simulation of the HEM-containing proteins   James Starlight
      • [gmx-users] Simulation of the HEM-containing proteins   James Starlight
      • [gmx-users] Simulation of the HEM-containing proteins   James Starlight
• [gmx-users] FW: No subject   Wholly Peach
• [gmx-users] Applying periodic boundary conditions in energy minimization   Abhinav Agrawal
  • [gmx-users] Applying periodic boundary conditions in energy minimization   Justin Lemkul
  • [gmx-users] Applying periodic boundary conditions in energy minimization   Tsjerk Wassenaar
  • [gmx-users] Applying periodic boundary conditions in energy minimization   song.yongshun
• [gmx-users] Using two integrators in energy minimization   Abhinav Agrawal
  • [gmx-users] Using two integrators in energy minimization   Justin Lemkul
• [gmx-users] g_dipoles: "index group is not a set of the whole molecules"   Oleksandr Sushko
  • [gmx-users] g_dipoles: "index group is not a set of the whole molecules"   Justin Lemkul
    • [gmx-users] Re: g_dipoles: "index group is not a set of the whole molecules"   Oleksandr Sushko
• [gmx-users] Salt bridge observation   Kavyashree M
  • [gmx-users] Salt bridge observation   Justin Lemkul
    • [gmx-users] Salt bridge observation   Kavyashree M
      • [gmx-users] Salt bridge observation   Justin Lemkul
      • [gmx-users] Salt bridge observation   Kavyashree M
      • [gmx-users] Salt bridge observation   Justin Lemkul
      • [gmx-users] Salt bridge observation   Kavyashree M
      • [gmx-users] Salt bridge observation   Justin Lemkul
• [gmx-users] New python package with gromacs support   Gabriele Lanaro
  • [gmx-users] New python package with gromacs support   Mark Abraham
• [gmx-users] cannot read frames out from trr files   mu xiaojia
  • [gmx-users] Re: cannot read frames out from trr files   mu xiaojia
    • [gmx-users] Re: cannot read frames out from trr files   Justin Lemkul
      • [gmx-users] Re: cannot read frames out from trr files   mu xiaojia
      • [gmx-users] Re: cannot read frames out from trr files   Justin Lemkul
• [gmx-users] Re: Applying periodic boundary conditions in energy minimization   Abhinav Agrawal
  • [gmx-users] Re: Applying periodic boundary conditions in energy minimization   Justin Lemkul
    • [gmx-users] Re: Applying periodic boundary conditions in energy minimization   Tsjerk Wassenaar
• [gmx-users] surface tension   Elisabeth
  • [gmx-users] surface tension   André Farias de Moura
    • [gmx-users] surface tension   Elisabeth
• [gmx-users] installating GROMACS on windows 7 64 bit system   imsharmanitin
  • [gmx-users] installating GROMACS on windows 7 64 bit system   Mark Abraham
• [gmx-users] REMD temperature spacing formula   Nikunj Maheshwari
  • [gmx-users] REMD temperature spacing formula   rama david
    • [gmx-users] REMD temperature spacing formula   Nikunj Maheshwari
      • [gmx-users] REMD temperature spacing formula   Mark Abraham
• [gmx-users] About Free energy surface .....g_sas   rama david
  • [gmx-users] About Free energy surface .....g_sas   Justin Lemkul
    • [gmx-users] About Free energy surface .....g_sas   rama david
      • [gmx-users] About Free energy surface .....g_sas   Justin Lemkul
      • [gmx-users] About Free energy surface .....g_sas   rama david
      • [gmx-users] About Free energy surface .....g_sas   Justin Lemkul
      • [gmx-users] About Free energy surface .....g_sas   rama david
• [gmx-users] g_potential   ansuman at physics.iisc.ernet.in
• [gmx-users] Problem with generating topology file for OPLS force field for membrane protein simulation   Parul tew
  • [gmx-users] Problem with generating topology file for OPLS force field for membrane protein simulation   Justin Lemkul
  • [gmx-users] Fwd: Problem with generating topology file for OPLS force field for membrane protein simulation   Parul tew
    • [gmx-users] Fwd: Problem with generating topology file for OPLS force field for membrane protein simulation   Justin Lemkul
• [gmx-users] Re:Applying periodic boundary conditions in energy minimization   Abhinav Agrawal
• [gmx-users] Re: Re: Re: Applying periodic boundary conditions in energy minimization   Abhinav Agrawal
  • [gmx-users] Re: Re: Re: Applying periodic boundary conditions in energy minimization   Tsjerk Wassenaar
• [gmx-users] Re: help with chromophore of a GFP   Anna Marabotti
  • [gmx-users] Re: help with chromophore of a GFP   Mark Abraham
• [gmx-users] replica exchange data in cpt file   João Henriques
  • [gmx-users] replica exchange data in cpt file   francesco oteri
    • [gmx-users] replica exchange data in cpt file   João Henriques
      • [gmx-users] replica exchange data in cpt file   francesco oteri
      • [gmx-users] replica exchange data in cpt file   Mark Abraham
      • [gmx-users] replica exchange data in cpt file   João Henriques
      • [gmx-users] replica exchange data in cpt file   Mark Abraham
• [gmx-users] -vsite in Umbrella sampling   raghav singh
  • [gmx-users] -vsite in Umbrella sampling   Erik Marklund
• [gmx-users] Topology file-residue unknown   Juliette N.
  • [gmx-users] Topology file-residue unknown   Justin Lemkul
    • [gmx-users] Topology file-residue unknown   Juliette N.
      • [gmx-users] Topology file-residue unknown   Justin Lemkul
      • [gmx-users] Topology file-residue unknown   Juliette N.
      • [gmx-users] Topology file-residue unknown   Mark Abraham
• [gmx-users] H2U residue   Juan Antonio Raygoza Garay
  • [gmx-users] H2U residue   Mark Abraham
• [gmx-users] Setting virtual sites ?   라지브간디
  • [gmx-users] Setting virtual sites ?   Broadbent, Richard
• [gmx-users] Multiple runs with a single mdp file   Tim Moore
  • [gmx-users] Multiple runs with a single mdp file   Mark Abraham
• [gmx-users] g_select: selection file problem   Oleksandr Sushko
  • [gmx-users] g_select: selection file problem   Teemu Murtola
    • [gmx-users] Re: g_select: selection file problem   Oleksandr Sushko
      • Aw: [gmx-users] Re:Concept   lloyd riggs
• [gmx-users] questions about umbrella sampling tutorial   Albert
  • [gmx-users] questions about umbrella sampling tutorial   Justin Lemkul
• [gmx-users] HIS in charmm27.ff   라지브간디
  • [gmx-users] HIS in charmm27.ff   Justin Lemkul
• [gmx-users] Intel compiling failed   Albert
  • [gmx-users] Intel compiling failed   Carsten Kutzner
    • [gmx-users] Intel compiling failed   Justin Lemkul
      • [gmx-users] Intel compiling failed   Carsten Kutzner
    • [gmx-users] Intel compiling failed   Albert
      • [gmx-users] Intel compiling failed   Carsten Kutzner
      • [gmx-users] Intel compiling failed   Albert
• [gmx-users] water molecule can not be settled   Shima Arasteh
  • Fw: [gmx-users] water molecule can not be settled   Shima Arasteh
    • Fw: [gmx-users] water molecule can not be settled   Justin Lemkul
      • Fw: [gmx-users] water molecule can not be settled   Shima Arasteh
      • Fw: [gmx-users] water molecule can not be settled   Justin Lemkul
      • Fw: [gmx-users] water molecule can not be settled   Shima Arasteh
      • Fw: [gmx-users] water molecule can not be settled   Justin Lemkul
      • Fw: [gmx-users] water molecule can not be settled   Luis Felipe Pineda de Castro
      • Fw: [gmx-users] water molecule can not be settled   Anirban
  • [gmx-users] water molecule can not be settled   Justin Lemkul
• [gmx-users] surface tension-crash at step 0   Elisabeth
• [gmx-users] Re: surface tension-crash at step 0   Dr. Vitaly Chaban
  • [gmx-users] Re: surface tension-crash at step 0   Elisabeth
    • [gmx-users] Re: surface tension-crash at step 0   Dr. Vitaly Chaban
• [gmx-users] gmx 4.6 mpi installation through openmpi?   라지브간디
  • [gmx-users] gmx 4.6 mpi installation through openmpi?   Szilárd Páll
  • [gmx-users] gmx 4.6 mpi installation through openmpi?   Zhikun Cai
    • [gmx-users] gmx 4.6 mpi installation through openmpi?   Hrachya Astsatryan
      • [gmx-users] gmx 4.6 mpi installation through openmpi?   Zhikun
• [gmx-users] problem of umbrella sampling pulling code   Albert
  • [gmx-users] problem of umbrella sampling pulling code   Justin Lemkul
• [gmx-users] RDF output has no data   Venkat Reddy
  • [gmx-users] RDF output has no data   Justin Lemkul
    • [gmx-users] RDF output has no data   Venkat Reddy
      • [gmx-users] RDF output has no data   Mark Abraham
      • [gmx-users] RDF output has no data   Venkat Reddy
• [gmx-users] genion doesn't work in 4.6.1?   Albert
  • [gmx-users] genion doesn't work in 4.6.1?   Justin Lemkul
  • [gmx-users] genion doesn't work in 4.6.1?   Justin Lemkul
  • [gmx-users] genion doesn't work in 4.6.1?   Warren Gallin
    • [gmx-users] genion doesn't work in 4.6.1?   Albert
      • [gmx-users] genion doesn't work in 4.6.1?   Abhishek Acharya
      • [gmx-users] genion doesn't work in 4.6.1?   Luis Felipe Pineda de Castro
      • [gmx-users] genion doesn't work in 4.6.1?   Abhishek Acharya
    • [gmx-users] genion doesn't work in 4.6.1?   Justin Lemkul
• [gmx-users] Re: surface tension-crash at step 0   Dr. Vitaly Chaban
  • [gmx-users] Re: surface tension-crash at step 0   Elisabeth
• [gmx-users] About PP/PME   陈照云
  • [gmx-users] About PP/PME   Justin Lemkul
• [gmx-users] Fwd: Improve performance   陈照云
  • [gmx-users] Fwd: Improve performance   Justin Lemkul
• [gmx-users] nstxout, nstvout, . . .   dina dusti
  • [gmx-users] nstxout, nstvout, . . .   Chandan Choudhury
    • [gmx-users] nstxout, nstvout, . . .   Mark Abraham
      • [gmx-users] nstxout, nstvout, . . .   dina dusti
      • [gmx-users] nstxout, nstvout, . . .   Mark Abraham
      • [gmx-users] nstxout, nstvout, . . .   dina dusti
• [gmx-users] amber99 with berger's lipids   James Starlight
  • [gmx-users] amber99 with berger's lipids   Mark Abraham
    • [gmx-users] amber99 with berger's lipids   James Starlight
      • [gmx-users] amber99 with berger's lipids   Justin Lemkul
      • [gmx-users] amber99 with berger's lipids   Albert
      • [gmx-users] amber99 with berger's lipids   Justin Lemkul
      • [gmx-users] amber99 with berger's lipids   James Starlight
      • [gmx-users] amber99 with berger's lipids   Justin Lemkul
      • [gmx-users] amber99 with berger's lipids   James Starlight
      • [gmx-users] amber99 with berger's lipids   Mark Abraham
      • [gmx-users] amber99 with berger's lipids   James Starlight
      • [gmx-users] amber99 with berger's lipids   Justin Lemkul
• [gmx-users] where is gromos54a7_lipid FF?   Albert
  • [gmx-users] where is gromos54a7_lipid FF?   Reid Van Lehn
    • [gmx-users] How to set the sigma and epsilon for Cu2+ in OPLS-AA/L force field   fantasticqhl
• [gmx-users] problem with REMD   Shine A
  • [gmx-users] problem with REMD   Justin Lemkul
• [gmx-users] FEP + Ham. REMD   Yuri Garmay
  • [gmx-users] Re: FEP + Ham. REMD   Yuri Garmay
• [gmx-users] Re: How to set the sigma and epsilon for Cu2+ in OPLS-AA/L   Dr. Vitaly Chaban
  • [gmx-users] Re: How to set the sigma and epsilon for Cu2+ in OPLS-AA/L   fantasticqhl
    • [gmx-users] Re: How to set the sigma and epsilon for Cu2+ in OPLS-AA/L   Dr. Vitaly Chaban
      • [gmx-users] Re: How to set the sigma and epsilon for Cu2+ in OPLS-AA/L   fantasticqhl
      • [gmx-users] Re: How to set the sigma and epsilon for Cu2+ in OPLS-AA/L   Dr. Vitaly Chaban
• [gmx-users] Restarting minimization   Juan Antonio Raygoza Garay
  • [gmx-users] Restarting minimization   Justin Lemkul
• [gmx-users] fail to pull   Albert
  • [gmx-users] fail to pull   Justin Lemkul
    • [gmx-users] fail to pull   Albert
      • [gmx-users] fail to pull   Justin Lemkul
      • [gmx-users] fail to pull   Albert
      • [gmx-users] fail to pull   Justin Lemkul
      • [gmx-users] fail to pull   Albert
  • [gmx-users] fail to pull   Jianguo Li
• [gmx-users] Adding second solvent   Juliette N.
  • [gmx-users] Adding second solvent   Justin Lemkul
• [gmx-users] Improve performance   陈照云
  • [gmx-users] Improve performance   Justin Lemkul
  • [gmx-users] Improve performance   Mark Abraham
• [gmx-users] unstable system   Shima Arasteh
  • [gmx-users] unstable system   Justin Lemkul
    • [gmx-users] unstable system   Shima Arasteh
      • [gmx-users] unstable system   Justin Lemkul
    • [gmx-users] unstable system   Shima Arasteh
      • [gmx-users] unstable system   Justin Lemkul
      • [gmx-users] unstable system   Shima Arasteh
      • [gmx-users] unstable system   Justin Lemkul
      • [gmx-users] unstable system   Shima Arasteh
      • [gmx-users] unstable system   Justin Lemkul
      • [gmx-users] unstable system   Shima Arasteh
      • [gmx-users] unstable system   Shima Arasteh
      • [gmx-users] unstable system   Justin Lemkul
      • [gmx-users] unstable system   Shima Arasteh
      • [gmx-users] unstable system   Justin Lemkul
      • [gmx-users] unstable system   Shima Arasteh
      • [gmx-users] unstable system   Justin Lemkul
• [gmx-users] Gromacs 4.6 GPU on Nvidia 250 GTS?   Hovakim Grabski
  • [gmx-users] Gromacs 4.6 GPU on Nvidia 250 GTS?   Justin Lemkul
• [gmx-users] (4/7/2013 3:33:29 PM)   Acoot Brett
• [gmx-users] Re: fail to pull   Thomas Schlesier
• [gmx-users] Simulating a large system   Juan Antonio Raygoza Garay
  • [gmx-users] Simulating a large system   Justin Lemkul
  • [gmx-users] Simulating a large system   Mark Abraham
• [gmx-users] GROMACS 4.6v - Myrinet2000   Hrachya Astsatryan
  • [gmx-users] GROMACS 4.6v - Myrinet2000   Justin Lemkul
    • [gmx-users] GROMACS 4.6v - Myrinet2000   Szilárd Páll
• [gmx-users] can we use GPU from another machine for calculation?   Albert
• [gmx-users] Restarting a REMD simulation (error)   João Henriques
  • [gmx-users] Restarting a REMD simulation (error)   Mark Abraham
    • [gmx-users] Restarting a REMD simulation (error)   João Henriques
      • [gmx-users] Restarting a REMD simulation (error)   Mark Abraham
      • Aw: Re: [gmx-users] MD publications   lloyd riggs
• [gmx-users] Re: Simulating a large system   Dr. Vitaly Chaban
  • [gmx-users] Re: Simulating a large system   Juan Antonio Raygoza Garay
    • [gmx-users] Re: Simulating a large system   Dr. Vitaly Chaban
      • [gmx-users] Re: Simulating a large system   Justin Lemkul
      • [gmx-users] Re: Simulating a large system   Mark Abraham
    • Aw: [gmx-users] Re: Simulating a large system   lloyd riggs
• [gmx-users] Re: can we use GPU from another machine for calculation?   Dr. Vitaly Chaban
• [gmx-users] Lipids and virtual site in 4.6.1   Bastien Loubet
  • [gmx-users] Lipids and virtual site in 4.6.1   David van der Spoel
    • [gmx-users] Lipids and virtual site in 4.6.1   David van der Spoel
      • [gmx-users] Re: Lipids and virtual site in 4.6.1   Bastien Loubet
• [gmx-users] Re: How to set the sigma and epsilon for Cu2+ in OPLS-AA/L   Dr. Vitaly Chaban
  • [gmx-users] Re: How to set the sigma and epsilon for Cu2+ in OPLS-AA/L   fantasticqhl
    • [gmx-users] Re: How to set the sigma and epsilon for Cu2+ in OPLS-AA/L   Dr. Vitaly Chaban
      • [gmx-users] Re: How to set the sigma and epsilon for Cu2+ in OPLS-AA/L   fantasticqhl
      • [gmx-users] Re: How to set the sigma and epsilon for Cu2+ in OPLS-AA/L   Dr. Vitaly Chaban
      • [gmx-users] Re: How to set the sigma and epsilon for Cu2+ in OPLS-AA/L   fantasticqhl
      • [gmx-users] Re: How to set the sigma and epsilon for Cu2+ in OPLS-AA/L   Dr. Vitaly Chaban
      • [gmx-users] Re: How to set the sigma and epsilon for Cu2+ in OPLS-AA/L   fantasticqhl
      • [gmx-users] Re: How to set the sigma and epsilon for Cu2+ in OPLS-AA/L   Dr. Vitaly Chaban
      • [gmx-users] Re: How to set the sigma and epsilon for Cu2+ in OPLS-AA/L   fantasticqhl
• [gmx-users] MD with Xenon   Divya Sunil
  • [gmx-users] MD with Xenon   Anirban
• [gmx-users] Re: RDF output has no data   Dr. Vitaly Chaban
  • [gmx-users] Re: RDF output has no data   Venkat Reddy
    • [gmx-users] Re: RDF output has no data   Dr. Vitaly Chaban
      • [gmx-users] Re: RDF output has no data   Venkat Reddy
      • [gmx-users] Re: RDF output has no data   Dr. Vitaly Chaban
      • [gmx-users] Re: RDF output has no data   Mark Abraham
      • [gmx-users] Re: RDF output has no data   Venkat Reddy
      • [gmx-users] Re: RDF output has no data   Mark Abraham
      • [gmx-users] Re: RDF output has no data   Venkat Reddy
• [gmx-users] Calculation of Temperature of Cluster   Rasoul Nasiri
  • [gmx-users] Calculation of Temperature of Cluster   Justin Lemkul
    • [gmx-users] Calculation of Temperature of Cluster   Rasoul Nasiri
      • [gmx-users] Calculation of Temperature of Cluster   Justin Lemkul
      • [gmx-users] Calculation of Temperature of Cluster   Rasoul Nasiri
      • [gmx-users] Calculation of Temperature of Cluster   Justin Lemkul
      • [gmx-users] Calculation of Temperature of Cluster   Rasoul Nasiri
      • [gmx-users] Calculation of Temperature of Cluster   Justin Lemkul
• [gmx-users] Quadro FX 5800 incompatible?   bv07ay
  • [gmx-users] Quadro FX 5800 incompatible?   Justin Lemkul
• [gmx-users] g_hbond   Nilesh Dhumal
• [gmx-users] can I change atom position after x steps   fatemeh ramezani
  • [gmx-users] can I change atom position after x steps   Justin Lemkul
• [gmx-users] installing CGenFF in Gromacs   jbermudez
  • [gmx-users] installing CGenFF in Gromacs   Justin Lemkul
    • [gmx-users] Re: installing CGenFF in Gromacs   jbermudez
• [gmx-users] About k20   陈照云
  • [gmx-users] About k20   Justin Lemkul
• [gmx-users] Obtain frames from every one ps   Ashalatha Sreshty
  • [gmx-users] Obtain frames from every one ps   Justin Lemkul
• [gmx-users] doubt in remd   Shine A
  • [gmx-users] doubt in remd   Nikunj Maheshwari
    • [gmx-users] doubt in remd   Simone Conti
    • [gmx-users] doubt in remd   Erik Marklund
  • [gmx-users] doubt in remd   Mark Abraham
• [gmx-users] how to split the disulfide bonds in CYSH?   aixintiankong
  • [gmx-users] how to split the disulfide bonds in CYSH?   Justin Lemkul
• [gmx-users] Maximum protein size for REMD?   Nikunj Maheshwari
  • [gmx-users] Maximum protein size for REMD?   Erik Marklund
    • [gmx-users] Maximum protein size for REMD?   Nikunj Maheshwari
      • [gmx-users] Maximum protein size for REMD?   Erik Marklund
      • [gmx-users] Maximum protein size for REMD?   Nikunj Maheshwari
      • [gmx-users] Maximum protein size for REMD?   Mark Abraham
      • [gmx-users] Maximum protein size for REMD?   Nikunj Maheshwari
      • [gmx-users] Maximum protein size for REMD?   Mark Abraham
• [gmx-users] reading Hydrogens from an itp file   gromacs query
  • [gmx-users] reading Hydrogens from an itp file   Justin Lemkul
• [gmx-users] Lipid membrane partially broken and create huge voids after NVT   sdshine
  • [gmx-users] Lipid membrane partially broken and create huge voids after NVT   Anirban
    • [gmx-users] Lipid membrane partially broken and create huge voids after NVT   swati rana
• [gmx-users] how to extract last frame?   Albert
  • [gmx-users] how to extract last frame?   Tsjerk Wassenaar
• [gmx-users] Re: Lipid membrane partially broken and create huge voids   Dr. Vitaly Chaban
• [gmx-users] Re: Re: Re: Re: help with chromophore of a GFP   Anna Marabotti
  • [gmx-users] Re: Re: Re: Re: help with chromophore of a GFP   Mark Abraham
• [gmx-users] (no subject)   Za Pour
• [gmx-users] a gro file at the end of simulation   Za Pour
  • [gmx-users] a gro file at the end of simulation   Justin Lemkul
• [gmx-users] Gromacs Building Blocks   Lara Bunte
  • [gmx-users] Gromacs Building Blocks   Justin Lemkul
• [gmx-users] General conceptual question about advantage of GPUs   Andrew DeYoung
  • [gmx-users] General conceptual question about advantage of GPUs   Justin Lemkul
    • [gmx-users] General conceptual question about advantage of GPUs   Mark Abraham
  • [gmx-users] General conceptual question about advantage of GPUs   Szilárd Páll
    • [gmx-users] General conceptual question about advantage of GPUs   Szilárd Páll
• [gmx-users] autocorrelation function of hydrogen bond : g_hbond   Nilesh Dhumal
  • [gmx-users] autocorrelation function of hydrogen bond : g_hbond   Justin Lemkul
    • [gmx-users] autocorrelation function of hydrogen bond : g_hbond   Nilesh Dhumal
      • [gmx-users] autocorrelation function of hydrogen bond : g_hbond   Erik Marklund
      • [gmx-users] autocorrelation function of hydrogen bond : g_hbond   Nilesh Dhumal
      • [gmx-users] autocorrelation function of hydrogen bond : g_hbond   Paulo Netz
• [gmx-users] GROMACS 4.6 with GPU acceleration (double presion)   Mikhail Stukan
  • [gmx-users] GROMACS 4.6 with GPU acceleration (double presion)   David van der Spoel
    • [gmx-users] GROMACS 4.6 with GPU acceleration (double presion)   Szilárd Páll
• [gmx-users] Re: General conceptual question about advantage of GPUs   Andrew DeYoung
  • [gmx-users] Re: General conceptual question about advantage of GPUs   Justin Lemkul
• [gmx-users] PTFE polymer chain   luanadelorenzo at libero.it
  • [gmx-users] PTFE polymer chain   Justin Lemkul
• [gmx-users] PTFE polymer chain   Justin Lemkul
• R: Re: Re: [gmx-users] PTFE polymer chain   luanadelorenzo at libero.it
• [gmx-users] amber99 with berger's lipids   Christopher Neale
• [gmx-users] GPU performance   Benjamin Bobay
  • [gmx-users] GPU performance   Szilárd Páll
    • [gmx-users] GPU performance   Benjamin Bobay
      • [gmx-users] GPU performance   Mark Abraham
      • [gmx-users] GPU performance   Szilárd Páll
• [gmx-users] Dihedral angle PCA   anu chandra
  • [gmx-users] Dihedral angle PCA   David van der Spoel
    • [gmx-users] Dihedral angle PCA   anu chandra
      • [gmx-users] Dihedral angle PCA   Thomas Evangelidis
      • [gmx-users] Dihedral angle PCA   Mark Abraham
      • [gmx-users] Dihedral angle PCA   Thomas Evangelidis
      • [gmx-users] Dihedral angle PCA   baptista at itqb.unl.pt
• [gmx-users] Re: Re: Re: help with a chromophore of GFP   Anna Marabotti
  • [gmx-users] Re: Re: Re: help with a chromophore of GFP   Mark Abraham
• [gmx-users] About Topology construction for CNT wrapped by Cyclic peptide   vidhya sankar
  • [gmx-users] About Topology construction for CNT wrapped by Cyclic peptide   Justin Lemkul
• [gmx-users] converting the normal hormonic potential bond to Fourth power potential bond?   라지브간디
  • [gmx-users] converting the normal hormonic potential bond to Fourth power potential bond?   Justin Lemkul
• [gmx-users] (no subject)   Liron Cohen
  • [gmx-users] 1-4 interactions warning   Liron Cohen
    • [gmx-users] 1-4 interactions warning   Justin Lemkul
  • [gmx-users] (no subject)   Mark Abraham
• [gmx-users] Computer configuration   Cintia C. Vequi-Suplicy
• [gmx-users] Fwd: rmsd   Preeti Choudhary
  • [gmx-users] Fwd: rmsd   Justin Lemkul
    • [gmx-users] Fwd: rmsd   Preeti Choudhary
• [gmx-users] About 4.6.1   陈照云
  • [gmx-users] About 4.6.1   Szilárd Páll
• [gmx-users] help: load imbalance   申昊
  • [gmx-users] help: load imbalance   Justin Lemkul
  • [gmx-users] help: load imbalance   Szilárd Páll
• [gmx-users] Re: Re: Re: Re: help with a chromophore of GFP   Anna Marabotti
  • [gmx-users] Re: Re: Re: Re: help with a chromophore of GFP   Mark Abraham
• [gmx-users] speed of sound in liquid   Elisabeth
• [gmx-users] Re: Re: help: load imbalance   申昊
  • [gmx-users] Re: Re: help: load imbalance   Mark Abraham
• [gmx-users] Re: Re: help: load imbalance (Justin Lemkul)   申昊
  • [gmx-users] Re: Re: help: load imbalance (Justin Lemkul)   Justin Lemkul
• [gmx-users] tip5p water model:Atomtype LP1 not found   Ahmet yıldırım
  • [gmx-users] tip5p water model:Atomtype LP1 not found   Justin Lemkul
    • [gmx-users] tip5p water model:Atomtype LP1 not found   Ahmet yıldırım
      • [gmx-users] tip5p water model:Atomtype LP1 not found   Justin Lemkul
      • [gmx-users] tip5p water model:Atomtype LP1 not found   Ahmet yıldırım
      • [gmx-users] tip5p water model:Atomtype LP1 not found   Justin Lemkul
      • [gmx-users] tip5p water model:Atomtype LP1 not found   Ahmet yıldırım
      • [gmx-users] tip5p water model:Atomtype LP1 not found   Justin Lemkul
      • [gmx-users] tip5p water model:Atomtype LP1 not found   Ahmet yıldırım
      • [gmx-users] tip5p water model:Atomtype LP1 not found   Justin Lemkul
      • [gmx-users] tip5p water model:Atomtype LP1 not found   Ahmet yıldırım
      • [gmx-users] tip5p water model:Atomtype LP1 not found   Justin Lemkul
      • [gmx-users] tip5p water model:Atomtype LP1 not found   Ahmet yıldırım
      • [gmx-users] tip5p water model:Atomtype LP1 not found   Justin Lemkul
      • [gmx-users] tip5p water model:Atomtype LP1 not found   Ahmet yıldırım
      • [gmx-users] tip5p water model:Atomtype LP1 not found   Justin Lemkul
• [gmx-users] About gpu   陈照云
  • [gmx-users] About gpu   Mark Abraham
• [gmx-users] thermal conductivity,specific heat,enthalpy   Ahmet yıldırım
  • [gmx-users] Re: thermal conductivity,specific heat,enthalpy   Ahmet yıldırım
    • [gmx-users] Re: thermal conductivity,specific heat,enthalpy   David van der Spoel
      • [gmx-users] Re: thermal conductivity,specific heat,enthalpy   Ahmet yıldırım
• [gmx-users] Viscosity calculation using cos_acceleration   James Cannon
  • [gmx-users] Charges for calculation of Coulomb interaction   fantasticqhl
    • [gmx-users] Charges for calculation of Coulomb interaction   Justin Lemkul
  • [gmx-users] Re: Viscosity calculation using cos_acceleration   James Cannon
• [gmx-users] About parallelization   陈照云
  • [gmx-users] About parallelization   Mark Abraham
• [gmx-users] shall we add ions in FEP?   Albert
• [gmx-users] mdrun -rdd and -dds flag   manara r. (rm16g09)
  • [gmx-users] mdrun -rdd and -dds flag   Broadbent, Richard
  • [gmx-users] mdrun -rdd and -dds flag   Justin Lemkul
• [gmx-users] vdw-modifier in GROMACS 4.6.1.   Chrisostomos Batistakis
  • [gmx-users] vdw-modifier in GROMACS 4.6.1.   Mark Abraham
    • [gmx-users] vdw-modifier in GROMACS 4.6.1.   Chrisostomos Batistakis
• [gmx-users] cygwin_mpi_gmx installation   라지브간디
  • [gmx-users] cygwin_mpi_gmx installation   Mark Abraham
    • [gmx-users] cygwin_mpi_gmx installation   Szilárd Páll
• [gmx-users] fake atoms creation and causes a 1-4 interaction between atoms warning   aviv naftaly
  • [gmx-users] fake atoms creation and causes a 1-4 interaction between atoms warning   Mark Abraham
• [gmx-users] K20 test   陈照云
  • [gmx-users] K20 test   Szilárd Páll
• [gmx-users] gmx4.6.1 performance problem "CPU acceleration: NONE"   Yorquant Wang
  • [gmx-users] gmx4.6.1 performance problem "CPU acceleration: NONE"   Mark Abraham
    • [gmx-users] gmx4.6.1 performance problem "CPU acceleration: NONE"   Yorquant Wang
      • [gmx-users] gmx4.6.1 performance problem "CPU acceleration: NONE"   Mark Abraham
• [gmx-users] Normal Mode Analysis -- Expected Output   Bryan Roessler
  • [gmx-users] Normal Mode Analysis -- Expected Output   David van der Spoel
    • [gmx-users] Normal Mode Analysis -- Expected Output   Bryan Roessler
• [gmx-users] Re:   Bryan Roessler
• [gmx-users] Memory requirement to store trajectories   Sikandar Mashayak
  • [gmx-users] Memory requirement to store trajectories   David van der Spoel
  • [gmx-users] Memory requirement to store trajectories   Mark Abraham
• [gmx-users] updating amberff.03 files   Laura Kingsley
  • [gmx-users] updating amberff.03 files   Mark Abraham
    • [gmx-users] updating amberff.03 files   Laura Kingsley
      • [gmx-users] updating amberff.03 files   Mark Abraham
      • [gmx-users] updating amberff.03 files   Laura Kingsley
      • [gmx-users] updating amberff.03 files   Mark Abraham
• [gmx-users] g_enemat problem & suggestion   Jernej Zidar
• [gmx-users] g_enemat problem & suggestion   Jernej Zidar
• [gmx-users] Is it possible to pull 2 different groups with respect to a third group as reference?   Saikat Banerjee
• [gmx-users] Re: Is it possible to pull 2 different groups with respect to a third group as reference?   Thomas Schlesier
• [gmx-users] pbc problem   Kieu Thu Nguyen
  • [gmx-users] pbc problem   Justin Lemkul
    • [gmx-users] pbc problem   Kieu Thu Nguyen
      • [gmx-users] pbc problem   Justin Lemkul
• [gmx-users] Fwd: [Fwd: QM MM modification]   Mark Abraham
• [gmx-users] lysine side chain shrinking   tarak karmakar
• [gmx-users] Re: cygwin_mpi_gmx installation   라지브간디
  • [gmx-users] Re: cygwin_mpi_gmx installation   Szilárd Páll
    • [gmx-users] Re: cygwin_mpi_gmx installation   Mirco Wahab
      • [gmx-users] Re: cygwin_mpi_gmx installation   Szilárd Páll
      • [gmx-users] Re: cygwin_mpi_gmx installation   Szilárd Páll
• [gmx-users] install gromacs 4.6.1 on 64bit Windows 7 cygwin   Hua Lu
  • [gmx-users] install gromacs 4.6.1 on 64bit Windows 7 cygwin   Mark Abraham
• [gmx-users] switching and shifting in GMX 4.6 on GPUs   Jesper Sørensen
  • [gmx-users] switching and shifting in GMX 4.6 on GPUs   Broadbent, Richard
    • [gmx-users] switching and shifting in GMX 4.6 on GPUs   Jesper Sørensen
• [gmx-users] number of coordinates in coordinate file (system.gro, 10019) does not match topology (topol.top, 17093)   swati rana
  • [gmx-users] number of coordinates in coordinate file (system.gro, 10019) does not match topology (topol.top, 17093)   Justin Lemkul
    • [gmx-users] number of coordinates in coordinate file (system.gro, 10019) does not match topology (topol.top, 17093)   Mark Abraham
• [gmx-users] About Merging topologies   vidhya sankar
  • [gmx-users] About Merging topologies   Justin Lemkul
• [gmx-users] On initialization of the molecules   Bao Kai
  • [gmx-users] On initialization of the molecules   Justin Lemkul
• [gmx-users] how to extract individual frames from trajectory   aixintiankong
  • [gmx-users] how to extract individual frames from trajectory   Justin Lemkul
  • [gmx-users] how to extract individual frames from trajectory   aixintiankong
    • [gmx-users] how to extract individual frames from trajectory   Justin Lemkul
• [gmx-users] pulling direction in Umbrella sampling   Kshatresh Dutta Dubey
  • [gmx-users] pulling direction in Umbrella sampling   Justin Lemkul
• [gmx-users] Estimations of the drug's affinity   James Starlight
  • [gmx-users] Estimations of the drug's affinity   Justin Lemkul
    • [gmx-users] Estimations of the drug's affinity   James Starlight
      • [gmx-users] Estimations of the drug's affinity   Justin Lemkul
    • Aw: Re: [gmx-users] Estimations of the drug's affinity   lloyd riggs
• [gmx-users] binding energy calculation when appear this error: no distance restraints in topology   fatemeh ramezani
  • [gmx-users] binding energy calculation when appear this error: no distance restraints in topology   Justin Lemkul
    • [gmx-users] binding energy calculation when appear this error: no distance restraints in topology   fatemeh ramezani
      • [gmx-users] binding energy calculation when appear this error: no distance restraints in topology   Justin Lemkul
• [gmx-users] g_hbond : autocorrelation funciton   Nilesh Dhumal
  • [gmx-users] g_hbond : autocorrelation funciton   Justin Lemkul
    • [gmx-users] g_hbond : autocorrelation funciton   Nilesh Dhumal
      • [gmx-users] g_hbond : autocorrelation funciton   Justin Lemkul
• [gmx-users] Issue with domain decomposition between v4.5.5 and 4.6.1   Stephanie Teich-McGoldrick
  • [gmx-users] Issue with domain decomposition between v4.5.5 and 4.6.1   Justin Lemkul
• [gmx-users] specbond detection   라지브간디
  • [gmx-users] specbond detection   Justin Lemkul
• [gmx-users] Pulling along dihedral angle as the reaction coordinate   neeru sharma
  • [gmx-users] Pulling along dihedral angle as the reaction coordinate   Justin Lemkul
• [gmx-users] binding energy calculation when appear this error: no distance restraints in topology   fatemeh ramezani
  • [gmx-users] binding energy calculation when appear this error: no distance restraints in topology   Justin Lemkul
• [gmx-users] g_covar with individual masses   Sebastian Waltz
  • [gmx-users] g_covar with individual masses   Justin Lemkul
• [gmx-users] Peptide distance matrix   Steven Neumann
  • [gmx-users] Peptide distance matrix   Justin Lemkul
    • [gmx-users] Peptide distance matrix   Steven Neumann
      • [gmx-users] Peptide distance matrix   Justin Lemkul
      • [gmx-users] Peptide distance matrix   Steven Neumann
      • [gmx-users] Peptide distance matrix   Steven Neumann
      • [gmx-users] Peptide distance matrix   Justin Lemkul
      • [gmx-users] Peptide distance matrix   Justin Lemkul
      • [gmx-users] Peptide distance matrix   Steven Neumann
      • [gmx-users] Peptide distance matrix   Steven Neumann
      • [gmx-users] Peptide distance matrix   Justin Lemkul
      • [gmx-users] Peptide distance matrix   Tsjerk Wassenaar
• [gmx-users] Building Single and Double Precision in 4.6.1?   Mike Hanby
  • [gmx-users] Building Single and Double Precision in 4.6.1?   Mark Abraham
    • [gmx-users] Building Single and Double Precision in 4.6.1?   Mike Hanby
      • [gmx-users] Building Single and Double Precision in 4.6.1?   Szilárd Páll
      • [gmx-users] Building Single and Double Precision in 4.6.1?   Mike Hanby
• [gmx-users] trjcat set timestep/amb2gmx?   Steven Neumann
  • [gmx-users] trjcat set timestep/amb2gmx?   Justin Lemkul
    • [gmx-users] trjcat set timestep/amb2gmx?   Mark Abraham
      • [gmx-users] trjcat set timestep/amb2gmx?   francesco oteri
      • [gmx-users] trjcat set timestep/amb2gmx?   Steven Neumann
      • [gmx-users] trjcat set timestep/amb2gmx?   Justin Lemkul
      • [gmx-users] trjcat set timestep/amb2gmx?   Steven Neumann
      • [gmx-users] trjcat set timestep/amb2gmx?   Mark Abraham
      • [gmx-users] trjcat set timestep/amb2gmx?   Steven Neumann
      • [gmx-users] trjcat set timestep/amb2gmx?   Justin Lemkul
      • [gmx-users] trjcat set timestep/amb2gmx?   Steven Neumann
• [gmx-users] mpi enabled gmx 4.5   라지브간디
  • [gmx-users] mpi enabled gmx 4.5   Justin Lemkul
• [gmx-users] muliple GPU crash   bv07ay
• [gmx-users] why no. of atoms doesn't match?   Albert
  • [gmx-users] why no. of atoms doesn't match?   Justin Lemkul
    • [gmx-users] why no. of atoms doesn't match?   Albert
      • [gmx-users] why no. of atoms doesn't match?   Albert
  • [gmx-users] Re: why no. of atoms doesn't match?   bv07ay
• Subject: Re: [gmx-users] Issue with domain decomposition between v4.5.5 and 4.6.1   Stephanie Teich-McGoldrick
  • Subject: Re: [gmx-users] Issue with domain decomposition between v4.5.5 and 4.6.1   Justin Lemkul
• [gmx-users] new CHARMM-GUI output not supported?   Albert
  • [gmx-users] new CHARMM-GUI output not supported?   Albert
  • [gmx-users] new CHARMM-GUI output not supported?   Mark Abraham
    • [gmx-users] new CHARMM-GUI output not supported?   Justin Lemkul
    • [gmx-users] new CHARMM-GUI output not supported?   Albert
• [gmx-users] Pulling along dihedral angle as the reaction coordinate   neeru sharma
• [gmx-users] Re: Viscosity calculation using cos_acceleration   Dr. Vitaly Chaban
  • [gmx-users] Re: Viscosity calculation using cos_acceleration   James
• [gmx-users] On Decane coordinate file   Bao Kai
  • [gmx-users] On Decane coordinate file   Justin Lemkul
• [gmx-users] request   Group Gro
  • [gmx-users] request   Justin Lemkul
• [gmx-users] Issuing multiple commands simultaneously   Abhinav Agrawal
  • [gmx-users] Issuing multiple commands simultaneously   Justin Lemkul
• [gmx-users] why minimization stop so fast   Albert
  • [gmx-users] why minimization stop so fast   Justin Lemkul
    • [gmx-users] why minimization stop so fast   Albert
      • [gmx-users] why minimization stop so fast   Justin Lemkul
      • [gmx-users] why minimization stop so fast   Albert
      • [gmx-users] why minimization stop so fast   Justin Lemkul
      • [gmx-users] Re: why minimization stop so fast   Brad Van Oosten
      • [gmx-users] Re: why minimization stop so fast   Albert
• [gmx-users] g_analyze error bar   Ahmet yıldırım
  • [gmx-users] g_analyze error bar   Justin Lemkul
    • [gmx-users] g_analyze error bar   Ahmet yıldırım
      • [gmx-users] g_analyze error bar   Justin Lemkul
• [gmx-users] how to simulate the transformation of loop   aixintiankong
  • [gmx-users] how to simulate the transformation of loop   Justin Lemkul
• [gmx-users] About the data loss due to Disk space problem   PAVAN PAYGHAN
• [gmx-users] Problem with OPLS parameters (too few parameters on line)   Parul tew
  • [gmx-users] Problem with OPLS parameters (too few parameters on line)   Justin Lemkul
• [gmx-users] run.mdp on 4.6-gpu   Steven Neumann
• [gmx-users] position restrained energy minimization   Wu Chaofu
  • [gmx-users] position restrained energy minimization   Justin Lemkul
• [gmx-users] Simulations box type   raghav singh
  • [gmx-users] Simulations box type   Justin Lemkul
• [gmx-users] Autocorrelation of C-N   Steven Neumann
  • [gmx-users] Autocorrelation of C-N   Mark Abraham
    • [gmx-users] Autocorrelation of C-N   Steven Neumann
• [gmx-users] how to direct log file correctly?   Albert
  • [gmx-users] how to direct log file correctly?   Justin Lemkul
    • [gmx-users] how to direct log file correctly?   Albert
      • [gmx-users] how to direct log file correctly?   Justin Lemkul
• [gmx-users] 2d-pmf with plumed gromacs   Yuan Hu
• [gmx-users] interaction energy   fatemeh ramezani
  • [gmx-users] interaction energy   Justin Lemkul
• [gmx-users] Plotting data from g_spatial   Venkat Reddy
• [gmx-users] installing gromacs-4.6.1 with CMake   中野佑香
  • [gmx-users] installing gromacs-4.6.1 with CMake   Justin Lemkul
    • [gmx-users] installing gromacs-4.6.1 with CMake   中野佑香
• [gmx-users] Regarding top2psf script   Venkat Reddy
  • [gmx-users] Regarding top2psf script   Justin Lemkul
• [gmx-users] Applying a Lennard-Jones Gauss potential function for TIP5P water   Andrish Reddy
  • [gmx-users] Applying a Lennard-Jones Gauss potential function for TIP5P water   Justin Lemkul
    • [gmx-users] Re: Applying a Lennard-Jones Gauss potential function for TIP5P water   Andrish Reddy
      • [gmx-users] Re: Applying a Lennard-Jones Gauss potential function for TIP5P water   Justin Lemkul
• [gmx-users] Running simulation over openmpi in rsh   라지브간디
  • [gmx-users] Running simulation over openmpi in rsh   Mark Abraham
• [gmx-users] How to fix interfacial tension in NPT   Souilem Safa
  • [gmx-users] How to fix interfacial tension in NPT   Justin Lemkul
    • [gmx-users] How to fix interfacial tension in NPT   Souilem Safa
      • [gmx-users] How to fix interfacial tension in NPT   Justin Lemkul
      • [gmx-users] How to fix interfacial tension in NPT   Souilem Safa
      • [gmx-users] How to fix interfacial tension in NPT   Justin Lemkul
      • [gmx-users] How to fix interfacial tension in NPT   Souilem Safa
      • [gmx-users] How to fix interfacial tension in NPT   Souilem Safa
      • [gmx-users] How to fix interfacial tension in NPT   Justin Lemkul
      • [gmx-users] How to fix interfacial tension in NPT   Souilem Safa
• [gmx-users] Membrane Simulation   Giuseppe
  • [gmx-users] Membrane Simulation   Justin Lemkul
    • [gmx-users] Re: Membrane Simulation   Giuseppe
      • [gmx-users] Re: Membrane Simulation   Justin Lemkul
      • [gmx-users] Re: Membrane Simulation   Giuseppe
      • [gmx-users] Re: Membrane Simulation   Justin Lemkul
• [gmx-users] ffnonbonded value of charmm to charmm27 ff   라지브간디
  • [gmx-users] ffnonbonded value of charmm to charmm27 ff   Mark Abraham
• [gmx-users] Free energy on GPU?   Олег Титов
  • [gmx-users] Free energy on GPU?   Justin Lemkul
• [gmx-users] pdb2gmx for small molecules?   Warren Gallin
  • [gmx-users] pdb2gmx for small molecules?   Justin Lemkul
    • [gmx-users] pdb2gmx for small molecules?   David van der Spoel
• [gmx-users] Announcement: new version of GridMAT-MD available   Justin Lemkul
  • [gmx-users] Announcement: new version of GridMAT-MD available   Albert
• [gmx-users] A beginner's question ...   Venkatesh Ramakrishnan
  • [gmx-users] A beginner's question ...   Justin Lemkul
• [gmx-users] Different energy using the identical tpr file   Fahimeh Baftizadeh
  • [gmx-users] Different energy using the identical tpr file   Mark Abraham
  • [gmx-users] Re: Different energy using the identical tpr file   Andrish Reddy
    • [gmx-users] Re: Different energy using the identical tpr file   Fahimeh Baftizadeh
      • [gmx-users] Re: Different energy using the identical tpr file   Mark Abraham
      • [gmx-users] Re: Different energy using the identical tpr file   Fahimeh Baftizadeh
• [gmx-users] specbonds not shwon   라지브간디
  • [gmx-users] specbonds not shwon   Justin Lemkul
• [gmx-users] virtual site cause energy minimization error?   라지브간디
• [gmx-users] GROMACS 4.5.7 released   Mark Abraham
  • [gmx-users] Re: [gmx-announce] GROMACS 4.5.7 released   Luís Pereira
    • [gmx-users] Re: [gmx-announce] GROMACS 4.5.7 released   Mark Abraham
  • [gmx-users] Re: GROMACS 4.5.7 released   Mark Abraham
• [gmx-users] how to use the trjconv -sep and -skip to get the individual file   aixintiankong
  • [gmx-users] how to use the trjconv -sep and -skip to get the individual file   Francesco
• [gmx-users] different checkpoint from remd after crash   andrea spitaleri
  • [gmx-users] different checkpoint from remd after crash   Mark Abraham
    • [gmx-users] different checkpoint from remd after crash   andrea spitaleri
• [gmx-users] specbonds are not taken by gromos force field?   라지브간디
  • [gmx-users] specbonds are not taken by gromos force field?   Justin Lemkul
• [gmx-users] Amber&Buckingham   Ali Alizadeh
• [gmx-users] Cut off problem with protein in water-vacuum-water layers   Nuria Cirauqui Diaz
  • [gmx-users] Cut off problem with protein in water-vacuum-water layers   Justin Lemkul
• [gmx-users] I can't figure out what is wrong with my .gro   Justin Lemkul
• [gmx-users] trjconv center problem   Brad Van Oosten
  • [gmx-users] trjconv center problem   Justin Lemkul
    • [gmx-users] Re: trjconv center problem   Brad Van Oosten
      • [gmx-users] Re: trjconv center problem   Justin Lemkul
      • [gmx-users] Re: trjconv center problem   Brad Van Oosten
      • [gmx-users] Re: trjconv center problem   Justin Lemkul
      • [gmx-users] Re: trjconv center problem   Brad Van Oosten
      • [gmx-users] Re: trjconv center problem   Justin Lemkul
      • [gmx-users] Re: trjconv center problem   Brad Van Oosten
• [gmx-users] Error in make install "no valid ELF RPATH". Cray XE6m   Daniel Adriano Silva M
  • [gmx-users] Error in make install "no valid ELF RPATH". Cray XE6m   Szilárd Páll
• [gmx-users] Only Ligand(Without Receptor) MD Simulation with solvent(other than water.)   zyduscadila
  • [gmx-users] Only Ligand(Without Receptor) MD Simulation with solvent(other than water.)   Justin Lemkul
    • [gmx-users] Re: Only Ligand(Without Receptor) MD Simulation with solvent(other than water.)   zyduscadila
      • [gmx-users] Re: Only Ligand(Without Receptor) MD Simulation with solvent(other than water.)   Baptiste Demoulin
      • [gmx-users] Re: Only Ligand(Without Receptor) MD Simulation with solvent(other than water.)   Justin Lemkul
      • [gmx-users] Re: Only Ligand(Without Receptor) MD Simulation with solvent(other than water.)   Baptiste Demoulin
• [gmx-users] Re: dihre_fc option in new 4.6.1 version   grant
• [gmx-users] Free Energy Calculations in Gromacs   HANNIBAL LECTER
  • [gmx-users] Free Energy Calculations in Gromacs   Michael Shirts
    • [gmx-users] Free Energy Calculations in Gromacs   HANNIBAL LECTER
• [gmx-users] Water spreading on graphene!   sarupria
  • [gmx-users] Water spreading on graphene!   David van der Spoel
• [gmx-users] Re: [gmx-announce] GROMACS 4.5.7 released   Mark Abraham
• [gmx-users] renumtop script   Shima Arasteh
  • [gmx-users] renumtop script   Justin Lemkul
• [gmx-users] renumtop script   Shima Arasteh
• [gmx-users] Re: Water spreading on graphene!   Dr. Vitaly Chaban
  • [gmx-users] Re: Water spreading on graphene!   Sapna Sarupria
  • [gmx-users] Re: Water spreading on graphene!   David van der Spoel
    • [gmx-users] Re: Water spreading on graphene!   Sapna Sarupria
      • [gmx-users] Re: Water spreading on graphene!   David van der Spoel
      • [gmx-users] Re: Water spreading on graphene!   Sapna Sarupria
• [gmx-users] align the 1000 frames from MD.xtc   aixintiankong
  • [gmx-users] align the 1000 frames from MD.xtc   Justin Lemkul
• [gmx-users] keeping the position and coordinates at the same when extarct frames   aixintiankong
  • [gmx-users] keeping the position and coordinates at the same when extarct frames   Justin Lemkul
• [gmx-users] extracting the multiple frames (pdb files) in align   aixintiankong
  • [gmx-users] extracting the multiple frames (pdb files) in align   Justin Lemkul
• [gmx-users] Re:gmx-users Digest, Vol 108, Issue 130   aixintiankong
  • [gmx-users] Re:gmx-users Digest, Vol 108, Issue 130   Justin Lemkul
  • [gmx-users] Re:gmx-users Digest, Vol 108, Issue 130   aixintiankong
  • [gmx-users] Re:Re:gmx-users Digest, Vol 108, Issue 130   aixintiankong
    • [gmx-users] Re:Re:gmx-users Digest, Vol 108, Issue 130   Justin Lemkul
• [gmx-users] Membrane simulations   Sun Moon
  • [gmx-users] Membrane simulations   Justin Lemkul
• [gmx-users] adjust charge   Arunima Shilpi
  • [gmx-users] adjust charge   Justin Lemkul
• [gmx-users] Amber&Buckingham   Ali Alizadeh
  • [gmx-users] Amber&Buckingham   Justin Lemkul
• [gmx-users] system explode when running in MD production   Nur Syafiqah Abdul Ghani
  • [gmx-users] system explode when running in MD production   Justin Lemkul
• [gmx-users] system explode when running in MD production   Nur Syafiqah Abdul Ghani
  • [gmx-users] system explode when running in MD production   Justin Lemkul
• [gmx-users] gmx in parallel   Ayesha Fatima
  • [gmx-users] gmx in parallel   Mark Abraham
• [gmx-users] GROMACS 4.6 with GPU acceleration (double   Mikhail Stukan
  • [gmx-users] GROMACS 4.6 with GPU acceleration (double   Albert
    • [gmx-users] GROMACS 4.6 with GPU acceleration (double   Szilárd Páll
• [gmx-users] Re: [gmx-developers] My system stops in the middle of a minimization   Anton Feenstra
• [gmx-users] Block average RMSD using g_analyze   Anirban
  • [gmx-users] Block average RMSD using g_analyze   Tsjerk Wassenaar
• [gmx-users] using CHARMM force field for organic molecule   aixintiankong
  • [gmx-users] using CHARMM force field for organic molecule   Justin Lemkul
    • [gmx-users] using CHARMM force field for organic molecule   Albert
      • [gmx-users] using CHARMM force field for organic molecule   Justin Lemkul
  • [gmx-users] using CHARMM force field for organic molecule   Dr. Vitaly Chaban
    • [gmx-users] using CHARMM force field for organic molecule   Justin Lemkul
• [gmx-users] position restraint and umbrella potential contribution to the virial   Christopher Neale
• [gmx-users] Problem with the simulation of C2160 (fullerene)   jhon michael espinosa duran
  • [gmx-users] Problem with the simulation of C2160 (fullerene)   Justin Lemkul
• [gmx-users] plots in gromacs   vansh
  • [gmx-users] plots in gromacs   pragna lakshmi
    • [gmx-users] Re: plots in gromacs   vansh
      • [gmx-users] Re: plots in gromacs   pragna lakshmi
  • [gmx-users] plots in gromacs   Dallas Warren
    • [gmx-users] plots in gromacs   tarak karmakar
      • [gmx-users] Re: plots in gromacs   vansh
• [gmx-users] Re: Selecting the temperature distribution   bharat gupta
  • [gmx-users] Fwd: Selecting the temperature distribution   bharat gupta
    • [gmx-users] Fwd: Selecting the temperature distribution   massimo sandal
      • [gmx-users] Fwd: Selecting the temperature distribution   bharat gupta
      • [gmx-users] Fwd: Selecting the temperature distribution   massimo sandal
      • [gmx-users] Fwd: Selecting the temperature distribution   bharat gupta
      • [gmx-users] Fwd: Selecting the temperature distribution   massimo sandal
      • [gmx-users] Fwd: Selecting the temperature distribution   bharat gupta
      • [gmx-users] Fwd: Selecting the temperature distribution   massimo sandal
      • [gmx-users] Fwd: Selecting the temperature distribution   bharat gupta
      • [gmx-users] Fwd: Selecting the temperature distribution   massimo sandal
      • [gmx-users] Fwd: Selecting the temperature distribution   massimo sandal
      • [gmx-users] Fwd: Selecting the temperature distribution   bharat gupta
      • [gmx-users] Fwd: Selecting the temperature distribution   massimo sandal
      • [gmx-users] Fwd: Selecting the temperature distribution   bharat gupta
      • [gmx-users] Fwd: Selecting the temperature distribution   Justin Lemkul
      • [gmx-users] Fwd: Selecting the temperature distribution   massimo sandal
      • [gmx-users] Fwd: Selecting the temperature distribution   bharat gupta
      • [gmx-users] Fwd: Selecting the temperature distribution   massimo sandal
      • [gmx-users] Fwd: Selecting the temperature distribution   Mark Abraham
      • [gmx-users] Fwd: Selecting the temperature distribution   massimo sandal
      • [gmx-users] Fwd: Selecting the temperature distribution   Mark Abraham
• [gmx-users] Differences between 4.5.5 and 4.6.2-dev?   Stefan Kesselheim
  • [gmx-users] Differences between 4.5.5 and 4.6.2-dev?   Berk Hess
    • [gmx-users] Differences between 4.5.5 and 4.6.2-dev?   Stefan Kesselheim
      • [gmx-users] Differences between 4.5.5 and 4.6.2-dev?   Stefan Kesselheim
      • [gmx-users] Differences between 4.5.5 and 4.6.2-dev?   Berk Hess
• [gmx-users] Compiling Gromacs   Maciej Masłyk
• [gmx-users] Tabulated non-bonded potentials - regd   ramesh cheerla
• [gmx-users] Interaction across PBC   Steven Neumann
  • [gmx-users] Interaction across PBC   Justin Lemkul
    • [gmx-users] Interaction across PBC   Steven Neumann
      • [gmx-users] Interaction across PBC   Steven Neumann
      • [gmx-users] Interaction across PBC   Justin Lemkul
      • [gmx-users] Interaction across PBC   Steven Neumann
• [gmx-users] which tool returns vectors?   Steven Neumann
  • [gmx-users] which tool returns vectors?   Justin Lemkul
• [gmx-users] specbonds are not taken by gromos force field?   라지브간디
  • [gmx-users] specbonds are not taken by gromos force field?   Justin Lemkul
• [gmx-users] Re: protein-ligand interactions in charmm force field   James Starlight
  • [gmx-users] Re: protein-ligand interactions in charmm force field   Justin Lemkul
    • [gmx-users] Re: protein-ligand interactions in charmm force field   James Starlight
      • [gmx-users] Re: protein-ligand interactions in charmm force field   Justin Lemkul
• [gmx-users] port to Gromacs of recent CHARMM FF changes (C37)   Guilherme Menegon Arantes
• [gmx-users] Energetics of ion and subatrate binding sites   ram bio
• [gmx-users] how to build the loop of protein model   aixintiankong
  • [gmx-users] how to build the loop of protein model   tarak karmakar
• [gmx-users] Manual installation of new analysis tool   Venkat Reddy
  • [gmx-users] Manual installation of new analysis tool   Mark Abraham
• [gmx-users] RMSD from the average structure   bipin singh
  • [gmx-users] RMSD from the average structure   Justin Lemkul
    • [gmx-users] RMSD from the average structure   Tsjerk Wassenaar
      • [gmx-users] RMSD from the average structure   bipin singh
      • [gmx-users] RMSD from the average structure   Erik Marklund
      • [gmx-users] RMSD from the average structure   bipin singh
• [gmx-users] Funnel Metadynamics using PLUMED/Gromacs   Davide Mercadante
• [gmx-users] amber03 force field   Elisa Frezza
  • [gmx-users] Fwd: amber03 force field   Elisa Frezza
  • [gmx-users] Fwd: amber03 force field   Elisa Frezza
    • [gmx-users] Fwd: amber03 force field   Mark Abraham
• [gmx-users] How to use multiple nodes, each with 2 CPUs and 3 GPUs   Christopher Neale
  • [gmx-users] How to use multiple nodes, each with 2 CPUs and 3 GPUs   Berk Hess
  • [gmx-users] How to use multiple nodes, each with 2 CPUs and 3 GPUs   Szilárd Páll
• [gmx-users] any other criteria for h-bond?   kim2811
  • [gmx-users] any other criteria for h-bond?   Erik Marklund
• [gmx-users] Martini with PME, temp two low   ABEL Stephane 175950
  • [gmx-users] Martini with PME, temp two low   XAvier Periole
    • [gmx-users] Martini with PME, temp two low   Dr. Vitaly Chaban
• [gmx-users] issue in replica exchange   XAvier Periole
  • [gmx-users] issue in replica exchange   Mark Abraham
    • [gmx-users] issue in replica exchange   XAvier Periole
      • [gmx-users] issue in replica exchange   Mark Abraham
• [gmx-users] Problem with gromacs in Cluster   Sainitin Donakonda
  • [gmx-users] Problem with gromacs in Cluster   Justin Lemkul
    • [gmx-users] Problem with gromacs in Cluster   Dr. Vitaly Chaban
  • [gmx-users] Problem with gromacs in Cluster   Francesco
    • [gmx-users] Problem with gromacs in Cluster   Richard Broadbent
      • [gmx-users] Problem with gromacs in Cluster   Mark Abraham
• [gmx-users] RE : gmx-users Digest, Vol 108, Issue 154   ABEL Stephane 175950
  • [gmx-users] Martini with PME, temp two low   XAvier Periole
• [gmx-users] Doubt about the Gromacs versions   bipin singh
  • [gmx-users] Doubt about the Gromacs versions   Richard Broadbent
    • [gmx-users] Doubt about the Gromacs versions   Justin Lemkul
      • [gmx-users] Doubt about the Gromacs versions   bipin singh
    • [gmx-users] Doubt about the Gromacs versions   bipin singh
• [gmx-users] Martini with PME, temp two low   ABEL Stephane 175950
• [gmx-users] Martini with PME, temp two low   ABEL Stephane 175950
  • [gmx-users] Martini with PME, temp two low   Dr. Vitaly Chaban
    • [gmx-users] Martini with PME, temp two low   Justin Lemkul
• [gmx-users] sc-coul and sc-r-power   Magnus Lundborg
• [gmx-users] g_rmsf Analysis.   Vivek Modi
  • [gmx-users] g_rmsf Analysis.   Justin Lemkul
• [gmx-users] Re: Martini with PME, temp two low   ABEL Stephane 175950
• [gmx-users] How to use multiple nodes, each with 2 CPUs and 3 GPUs   Christopher Neale
• [gmx-users] interfacial-tension-interface simulation   Souilem Safa
• [gmx-users] Re: How to use multiple nodes, each with 2 CPUs and 3 GPUs   Christopher Neale
• [gmx-users] free energy of system   sarah k
  • [gmx-users] free energy of system   Justin Lemkul
• [gmx-users] Re: Martini with PME, temp two low (ABEL Stephane 175950)   ABEL Stephane 175950
  • [gmx-users] Re: Martini with PME, temp two low (ABEL Stephane 175950)   XAvier Periole
• [gmx-users] How to rescue trr trajectory when two or more corrupted frames exist   Ioannis Beis
  • [gmx-users] How to rescue trr trajectory when two or more corrupted frames exist   Mark Abraham
• [gmx-users] Re: Manual installation of new analysis tool   Christoph Junghans
  • [gmx-users] Re: Manual installation of new analysis tool   Venkat Reddy
    • [gmx-users] Re: Manual installation of new analysis tool   Venkat Reddy
• [gmx-users] gmx 4.6.1, Expanded ensemble: weird balancing factors   Joakim Jämbeck
• [gmx-users] xpm2ps issue   Neha Gandhi
  • [gmx-users] xpm2ps issue   Justin Lemkul
• [gmx-users] Re: free energy of system   sarah k
• [gmx-users] SMD - reproducibility   Steven Neumann
• [gmx-users] RE: Martini with PME, temp two low   ABEL Stephane 175950
  • [gmx-users] RE: Martini with PME, temp two low   XAvier Periole
• [gmx-users] Re: gmx-users Digest, Vol 108, Issue 165   Thomas Schlesier
• [gmx-users] Re: SMD - reproducibility   Thomas Schlesier
  • [gmx-users] Re: SMD - reproducibility   Steven Neumann
    • [gmx-users] Re: SMD - reproducibility   rajendra kumar
• [gmx-users] Re: SMD - reproducibility   Thomas Schlesier
  • [gmx-users] Re: SMD - reproducibility   Steven Neumann
    • [gmx-users] Re: SMD - reproducibility   André Farias de Moura
• [gmx-users] RE: Martini with PME, temp two low   ABEL Stephane 175950
• [gmx-users] Issue with RMSD profile   Sainitin Donakonda
  • [gmx-users] Issue with RMSD profile   Justin Lemkul
• [gmx-users] mdrun on GPU   Juliette N.
  • [gmx-users] mdrun on GPU   Justin Lemkul
• [gmx-users] ATP/Mg+2 parameters   George Patargias
  • [gmx-users] ATP/Mg+2 parameters   João M. Damas
    • [gmx-users] ATP/Mg+2 parameters   George Patargias
      • [gmx-users] ATP/Mg+2 parameters   Abhishek Acharya
      • [gmx-users] ATP/Mg+2 parameters   Jesper Sørensen
• [gmx-users] Linear Interaction Energy Method (LIE)   Rajitha Tatikonda
• [gmx-users] Using virtual site   라지브간디
  • [gmx-users] Using virtual site   Mark Abraham
• [gmx-users] compile error   Albert
  • [gmx-users] compile error   Szilárd Páll
    • [gmx-users] compile error   Albert
• [gmx-users] GPU efficiency question   Albert
  • [gmx-users] GPU efficiency question   Mark Abraham
• [gmx-users] _gpu_id failed   Albert
  • [gmx-users] _gpu_id failed   Justin Lemkul
• [gmx-users] Gromos 54A8 forcefield   Rajat Desikan
  • [gmx-users] Gromos 54A8 forcefield   Justin Lemkul
• [gmx-users] How to rescue trr trajectory when two or more corrupted frames exist   Christopher Neale
• [gmx-users] Questions about the MFFA boundery implementation of Gromacs?   song.yongshun
  • [gmx-users] Questions about the MFFA boundery implementation of Gromacs?   XAvier Periole
    • [gmx-users] Questions about the MFFA boundary implementation of Gromacs?   song.yongshun
• [gmx-users] RE: How to rescue trr trajectory when two or more corrupted frames exist   Ioannis Beis
• [gmx-users] Genion cannot read from input   Nathan Bullock
  • [gmx-users] Genion cannot read from input   Justin Lemkul
    • [gmx-users] Genion cannot read from input   Justin Lemkul
      • [gmx-users] Re: Genion cannot read from input   Nathan Bullock
      • [gmx-users] Re: Genion cannot read from input   Justin Lemkul
      • [gmx-users] Re: Genion cannot read from input   Nathan Bullock
      • [gmx-users] Re: Genion cannot read from input   Nathan Bullock
      • [gmx-users] Re: Genion cannot read from input   Warren Gallin
      • [gmx-users] Re: Genion cannot read from input   Mark Abraham
• [gmx-users] Calculation of helicity of alpha-helix which is parallel to X-axis   Sujit Sarkar
  • [gmx-users] Calculation of helicity of alpha-helix which is parallel to X-axis   Justin Lemkul
• [gmx-users] Including polarizability by a Drude oscillator or the shell model   Andrew DeYoung
  • [gmx-users] Including polarizability by a Drude oscillator or the shell model   David van der Spoel
• [gmx-users] How to rescue trr trajectory when two or more corrupted frames exist   Christopher Neale
• [gmx-users] about command do_dssp   aixintiankong
  • [gmx-users] about command do_dssp   Justin Lemkul
• [gmx-users] can we use large timestep for membrane GPU simulation?   Albert
  • [gmx-users] can we use large timestep for membrane GPU simulation?   Justin Lemkul
• [gmx-users] why files are so large?   Albert
  • [gmx-users] why files are so large?   Justin Lemkul
    • [gmx-users] why files are so large?   Albert
      • [gmx-users] why files are so large?   Justin Lemkul
• [gmx-users] GPU job often stopped   Albert
  • [gmx-users] GPU job often stopped   Justin Lemkul
    • [gmx-users] GPU job often stopped   Albert
      • [gmx-users] GPU job often stopped   Szilárd Páll
      • [gmx-users] GPU job often stopped   Albert
      • [gmx-users] GPU job often stopped   Szilárd Páll
      • [gmx-users] GPU job often stopped   Albert
      • [gmx-users] GPU job often stopped   Szilárd Páll
  • [gmx-users] GPU job often stopped   Szilárd Páll
    • [gmx-users] GPU job often stopped   Albert
• [gmx-users] Illegal instruction (core dumped) - trjconv   Steven Neumann
  • [gmx-users] Re: Illegal instruction (core dumped) - trjconv   Steven Neumann
    • [gmx-users] Re: Illegal instruction (core dumped) - trjconv   Szilárd Páll
• [gmx-users] genbox box size problem   Alexander Björling
  • [gmx-users] genbox box size problem   XAvier Periole
  • [gmx-users] genbox box size problem   Justin Lemkul
    • [gmx-users] Re: genbox box size problem   alex.bjorling
      • [gmx-users] Re: genbox box size problem   XAvier Periole
• [gmx-users] umbrella sampling tutorial   Shima Arasteh
  • [gmx-users] umbrella sampling tutorial   Justin Lemkul
• [gmx-users] how is the pulling force measured   kim2811
  • [gmx-users] Re: how is the pulling force measured   alex.bjorling
    • Aw: [gmx-users] Re: how is the pulling force measured   lloyd riggs
      • Aw: [gmx-users] Order of atoms in topology   Justin Lemkul
      • Aw: [gmx-users] Order of atoms in topology   Mark Abraham
      • Aw: [gmx-users] Order of atoms in topology   Justin Lemkul
      • Aw: [gmx-users] Order of atoms in topology   Mark Abraham
      • Aw: [gmx-users] Order of atoms in topology   Justin Lemkul
      • Aw: [gmx-users] Re: how is the pulling force measured   lloyd riggs
      • Aw: [gmx-users] Re: how is the pulling force measured   Justin Lemkul
    • [gmx-users] Re: how is the pulling force measured   kim2811
      • [gmx-users] Re: how is the pulling force measured   alex.bjorling
• [gmx-users] dummy atom fep topology   chris liopiri
• [gmx-users] Fatal error: Failed to lock: md.log. Function not implemented.   maggin
  • [gmx-users] Fatal error: Failed to lock: md.log. Function not implemented.   Justin Lemkul
    • [gmx-users] Re: Fatal error: Failed to lock: md.log. Function not implemented.   maggin
• [gmx-users] Error in pdb2gmx   Nikunj Maheshwari
  • [gmx-users] Error in pdb2gmx   Justin Lemkul
    • [gmx-users] Error in pdb2gmx   Nikunj Maheshwari
      • [gmx-users] Error in pdb2gmx   Justin Lemkul
• [gmx-users] Re: gmx-users Digest, Vol 108, Issue 140   Arunima Shilpi
  • [gmx-users] no such moleculetype   Justin Lemkul
• [gmx-users] Re: how is the pulling force measured   Thomas Schlesier
• [gmx-users] help with g_hydorder and g_polystat   Emmanuel, Alaina
  • [gmx-users] help with g_hydorder and g_polystat   Justin Lemkul
• [gmx-users] Umbrella sampling's equilibration runs   James Starlight
  • [gmx-users] Umbrella sampling's equilibration runs   Justin Lemkul
    • [gmx-users] Umbrella sampling's equilibration runs   James Starlight
      • [gmx-users] Umbrella sampling's equilibration runs   Justin Lemkul
• [gmx-users] stable branch using git   Sikandar Mashayak
  • [gmx-users] stable branch using git   Justin Lemkul
• [gmx-users] Comparing Charmm 27 energies from GROMACS and NAMD   Reza Salari

Last message date: Tue Apr 30 22:19:56 CEST 2013
Archived on: Thu Nov 14 12:14:08 CET 2013

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